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\title{BROADBAND ROTATIONAL SPECTROSCOPY OF CUMINOL AND ITS WATER COMPLEX}

\author{\underline{\FirstName E.~M. \LastName NEEMAN}, \FirstName N. \LastName OSSEIRAN,
 \underline{\FirstName T.~R. \LastName HUET}}
\address{Univ. Lille, CNRS, UMR 8523 - PhLAM - Physique des Lasers Atomes et Mol\'ecules,
 F-59000 Lille, France}

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\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
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\category {4}
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\index{Microwave}


Monoterpenoids are chemical compounds derivatives of isoprene. They are naturally produced
 mainly by plants and vegetations. Many of them are involved in atmospheric chemistry since 
they represent about 11% of the global biogenicemission, while some of them have important 
biological activity. Cuminol (4-isopropylbenzyl alcohol, CA), a monocyclic
monoterpenoid, was found to be the main compound in Rhodiola essential oil, having a specific
 spicy fragrance, which emphasizes the flower scent of rose root rhizomes. 
It may play a role in atmospheric chemistry since it is related to the
abundant atmospheric monoterpene p-cymene. CA is an important biological compound since it
 has an analgesic effect,
\footnote{M.A. Sheikholeslami, S. Ghafghazi, S. Parvardeh, S. Koohsari, S.H. Aghajani, 
R. Pouriran, L.A. and Vaezi, European Journal of Pharmacology, \textbf{900}, p.174075 (2021)}
and it has been found in different medicinal plants. It is also a potent insulinotropic
 molecule that can enhance insulinsecretion.
\footnote{S.B. Patil, S.S. Takalikar, M.M. Joglekar, V. S. Haldavnekar, and A.U. Arvindekar,
 British journal of nutrition, \textbf{110}, 1434--1443 (2013)}
As biological activity is linked to the structure, it is important to characterize the 
conformational landscape in
the gas phase. Using a combination of broadband rotational spectroscopy
\footnote{This work is part of the sub-project SIMO-LB-HR, supported by the project 
WAVETECH-Hauts-de-France in the frame of the State-Region Plan Contract}
and theoretical calculations, one rotamer has been observed. Its identity has been
 confirmed by studying deuterated species enabling the determination of OH position
and consequently been assigned to the lowest energy conformer. The interaction between CA
 and one water molecule has
been also studied. Its spectrum showed tunneling effect. The splitting is associated with
 an internal dynamic of water
inside the complex.

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